N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]-3-nitroaniline

Formula:C23H19N3O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]-3-nitroaniline is not a drug-like molecule.

MolName	N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]-3-nitroaniline
MolecularFormula	C23H19N3O2
Smiles	[O-][N+](c1cc(NN=C(/C=C/c2ccccc2)/C=C/c2ccccc2)ccc1)=O
InChI	InChI=1S/C23H19N3O2/c27-26(28)23-13-7-12-22(18-23)25-24-21(16-14-19-8-3-1-4-9-19)17-15-20-10-5-2-6-11-20/h1-18,25H
InChIK	AQMGXJCOZAVBRP-UHFFFAOYSA-N
TotalMolweight	369.423
Molweight	369.423
MonoisotopicMass	369.147727
CLogP	6.251
CLogS	-5.655
H Acceptors	5
H Donors	1
TotalSurfaceArea	303.88
Relative PSA	0.17569
PolarSurfaceArea	70.21
Druglikeness	-3.9875
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	10
AcidicOxygens	1
StereoCon

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1 - N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]-3-nitroaniline | 2 - N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]-3-nitroaniline

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